SCHEMBL2802871

SCHEMBL2802871

COc1ccc(CCNC(=O)N2CCc3c(cnc4[nH]ncc34)C2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
POLB P06746 1/20 0.52
MAPT P10636 1/20 0.52
TSHR P16473 1/20 0.52
HTT P42858 1/20 0.52
MAPK1 P28482 2/20 0.47
ALDH1A1 P00352 4/20 0.46
NAMPT P43490 2/20 0.46
CLK1 P49759 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.44
GAA P10253 1/20 0.44
MDM2 Q00987 1/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2805547 0.84 TRPV1 (0.56) MAPTALDH1A1NAMPTKMT2AMEN1
SCHEMBL2804990 0.83 NAMPT (0.46) MAPK1ALDH1A1NAMPTPTGDR2GAA
SCHEMBL2804250 0.80 KMT2A (0.41) LMNAALDH1A1NAMPTPTGDR2GAA
SCHEMBL2808052 0.79 PKM (0.47) HTTMAPK1ALDH1A1NAMPT
SCHEMBL2803044 0.79 KMT2A (0.55) LMNAPOLBMAPTTSHRHTT
SCHEMBL2802688 0.77 FYN (0.50) POLBNAMPTPDGFRB
SCHEMBL2805762 0.77 NAMPT (0.46) TSHRHTTALDH1A1NAMPT
SCHEMBL2804018 0.77 NAMPT (0.48) NAMPTNPC1RAB9A
SCHEMBL2805588 0.76 ROCK1 (0.49) LMNAALDH1A1NAMPTNPC1RAB9A
SCHEMBL2803239 0.76 PRMT5 (0.38) MAPK1NAMPTKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263610-B2 Substituted imidazolyl-5,6-dihydrobenzo[N]isoquinoline compounds ARQULE, INC. (US) 2012-09-11 US disclosed
US-8263610-B2 Substituted imidazolyl-5,6-dihydrobenzo[N]isoquinoline compounds ARQULE, INC. (US) 2012-09-11 US disclosed
US-8263610-B2 Substituted imidazolyl-5,6-dihydrobenzo[N]isoquinoline compounds ARQULE, INC. (US) 2012-09-11 US disclosed
US-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 US disclosed
US-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 US disclosed
US-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 US disclosed
WO-2010078427-A1 SUBSTITUTED PYRAZOLO [3, 4-B] PYRIDINE COMPOUNDS ARQULE, INC. (US) 2010-07-08 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS NQO1, IDH3B, IDH1 LMNA 1591/4885POLB 1060/4885MAPT 3332/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.